CHEBI:227653 - Terrelactone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Terrelactone A
ChEBI ID CHEBI:227653
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H28O8
Net Charge 0
Average Mass 468.502
Monoisotopic Mass 468.17842
InChI InChI=1S/C26H28O8/c1-15(2)6-7-18-12-16(13-20(32-4)22(18)27)14-26(25(30)33-5)21(23(28)24(29)34-26)17-8-10-19(31-3)11-9-17/h6,8-13,27-28H,7,14H2,1-5H3/t26-/m1/s1
InChIKey OUVRGNVUVNCMKG-AREMUKBSSA-N
SMILES O=C1O[C@](C(=O)OC)(CC2=CC(OC)=C(O)C(=C2)CC=C(C)C)C(=C1O)C3=CC=C(OC)C=C3
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Terrelactone A (CHEBI:227653) is a methoxybenzenes (CHEBI:51683)
Terrelactone A (CHEBI:227653) is a phenols (CHEBI:33853)
IUPAC Name
methyl (2R)-4-hydroxy-2-[[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-methoxyphenyl)-5-oxouran-2-carboxylate
Manual Xref Database
78438377 ChemSpider
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